[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C23H28N2O5 — CID 163339439

IUPAC[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2COc2ccc(C(=O)N3CCOCC3)cc2)c(C)o1
InChIInChI=1S/C23H28N2O5/c1-16-14-21(17(2)30-16)23(27)25-9-3-4-19(25)15-29-20-7-5-18(6-8-20)22(26)24-10-12-28-13-11-24/h5-8,14,19H,3-4,9-13,15H2,1-2H3
InChIKeyYIPMLNXVQJSVPE-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.05
Rot. Bonds5

About [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 163339439) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID163339439
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2COc2ccc(C(=O)N3CCOCC3)cc2)c(C)o1
InChIInChI=1S/C23H28N2O5/c1-16-14-21(17(2)30-16)23(27)25-9-3-4-19(25)15-29-20-7-5-18(6-8-20)22(26)24-10-12-28-13-11-24/h5-8,14,19H,3-4,9-13,15H2,1-2H3
InChIKeyYIPMLNXVQJSVPE-UHFFFAOYSA-N
XLogP3.05
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[[1-(3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339935
[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
[4-[[1-(6-methylpyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339973
[4-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 163339877
3-cyclopentyl-1-[2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]propan-1-one
CID 163339484
morpholin-4-yl-[4-[[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 163339790
N-(2-methoxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340101
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 163339439) is [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCCC2COc2ccc(C(=O)N3CCOCC3)cc2)c(C)o1.
What is the InChIKey of [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YIPMLNXVQJSVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-16-14-21(17(2)30-16)23(27)25-9-3-4-19(25)15-29-20-7-5-18(6-8-20)22(26)24-10-12-28-13-11-24/h5-8,14,19H,3-4,9-13,15H2,1-2H3.
What are the key properties of [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163339439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).